(phenylmethyl) N-[(2S)-3-(1H-indol-3-yl)-1-(3-nitrophenyl)-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-3-(1H-indol-3-yl)-1-(3-nitrophenyl)-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-1-(1H-indol-3-ylmethyl)-2-(3-nitrophenyl)-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-3-(1H-indol-3-yl)-1-(3-nitrophenyl)-1-oxopropan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-3-(1H-indol-3-yl)-1-(3-nitrophenyl)-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1S)-1-(1H-indol-3-ylmethyl)-2-keto-2-(3-nitrophenyl)ethyl]carbamic acid benzyl ester Formula: C25H21N3O5 MolecularWeight: 443.45134

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H21N3O5/c29-24(18-9-6-10-20(13-18)28(31)32)23(14-19-15-26-22-12-5-4-11-21(19)22)27-25(30)33-16-17-7-2-1-3-8-17/h1-13,15,23,26H,14,16H2,(H,27,30)/t23-/m0/s1